(5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene

C26H30F4O — CID 143772360

IUPAC(5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene
SMILESC=CCC(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)OCCC
InChIInChI=1S/C26H30F4O/c1-10-12-18(5)23(27)24(28)19(6)16(3)13-14-17(4)20(7)25(29)26(30)21(8)22(9)31-15-11-2/h10,13-14,22H,1,3-8,11-12,15H2,2,9H3/b14-13-,24-23-,26-25-
InChIKeyBEHZUIQONGNVEB-XMQWXTCASA-N
MW434.52 g/mol
LogP8.57
Rot. Bonds14

About (5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene

(5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene (PubChem CID 143772360) has the molecular formula C26H30F4O and a molecular weight of 434.52 g/mol. Its IUPAC name is (5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene.

Molecular Properties

Compound Name(5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene
PubChem CID143772360
Molecular FormulaC26H30F4O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name(5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene
SMILESC=CCC(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)OCCC
InChIInChI=1S/C26H30F4O/c1-10-12-18(5)23(27)24(28)19(6)16(3)13-14-17(4)20(7)25(29)26(30)21(8)22(9)31-15-11-2/h10,13-14,22H,1,3-8,11-12,15H2,2,9H3/b14-13-,24-23-,26-25-
InChIKeyBEHZUIQONGNVEB-XMQWXTCASA-N
XLogP8.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-Butoxy-6-fluoro-2-methylcyclohexa-1,3-diene
CID 68274748
(3Z,5Z)-2-[(2,2-difluoro-3-propan-2-yloxypropoxy)methyl]hepta-1,3,5-triene
CID 88214480
6-Fluoro-2-methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986443
2-Methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986472
4-[(1E)-1-fluoro-3-[(2Z,4Z)-1,1,3-trifluoro-2,5-dimethylhepta-2,4,6-trienoxy]buta-1,3-dienyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
CID 89259538
2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran
CID 89306006
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
CID 89381334
5-Fluoro-2-(propan-2-yloxymethyl)cyclohexa-1,3-diene
CID 89420002
2-(1-Ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene
CID 118900161
5-Fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene
CID 123170743
8-Ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene
CID 123385435
4-Ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
CID 123931875

Frequently Asked Questions

What is the IUPAC name of (5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene?
The IUPAC name of (5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene (CID 143772360) is (5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene.
What is the SMILES notation for (5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene?
The canonical SMILES for (5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene is C=CCC(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)OCCC.
What is the InChIKey of (5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene?
The InChIKey is BEHZUIQONGNVEB-XMQWXTCASA-N. The full InChI is InChI=1S/C26H30F4O/c1-10-12-18(5)23(27)24(28)19(6)16(3)13-14-17(4)20(7)25(29)26(30)21(8)22(9)31-15-11-2/h10,13-14,22H,1,3-8,11-12,15H2,2,9H3/b14-13-,24-23-,26-25-.
What are the key properties of (5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene?
(5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene has a molecular weight of 434.52 g/mol, XLogP of 8.57, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene is sourced from PubChem (CID 143772360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).